Catalytic reduction of dinitrogen to ammonia by molybdenum: theory versus experiment.

@article{Schrock2008CatalyticRO,
  title={Catalytic reduction of dinitrogen to ammonia by molybdenum: theory versus experiment.},
  author={Richard R Schrock},
  journal={Angewandte Chemie},
  year={2008},
  volume={47 30},
  pages={
          5512-22
        }
}
Molybdenum complexes that contain the triamidoamine ligand [(RNCH(2)CH(2))(3)N](3-) (R = 3,5-(2,4,6-iPr(3)C(6)H(2))(2)C(6)H(3)) catalyze the reduction of dinitrogen to ammonia at 22 degrees C and 1 atm with protons from 2,6-dimethylpyridinium and electrons from decamethylchromocene. Several theoretical studies have been published that bear on the proposed intermediates in the catalytic dinitrogen reduction reaction and their reaction characteristics, including DFT calculations on [(HIPTNCH(2)CH… CONTINUE READING

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